Advances in Quantum Chemistry, Volume 39

1st Edition

Print ISBN: 9780123917720
eBook ISBN: 9780080916149
Imprint: Academic Press
Published Date: 27th July 2001
Page Count: 381

Institutional Access


Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.

This Volume and Volume 40 will be thematic volumes based on the proceedings of the Fifth European Workshop on Quantum Systems in Chemistry and Physics which was held April 13-18, 2000, in Uppsala, Sweden. We published the proceedings from a previous meeting in 1998. See Volumes 31 and 32.


Researchers in quantum chemistry, applied mathematics, biology and physics; universities and industrial research and development groups working on biological molecules and new materials, such as semiconductor chips, polymers, and alloys.

Table of Contents

Density Matrices and Phase-Space Functions Jens Peder Dahl

Correlation Corrected Hartree-Fock and Density Functional Computations on Periodic Polymers Janos Ladik, Ferenc Bogar, and Vick Van Doren

Effective Potential of a Single Excited State Along the Adiabatic Path Á. Nagy

Gradient Corrections to the Kinetic-Energy Density Functional Stemming from a Regular Two-Component Relativistic Hamiltonian P. Tz. Yotov, F. E. Zakhariev, Ya. I. Delchev, and J. Maruani

An Attempt to Release the Constrained Search Approach in the Density Functional Theory Boris P. Zapol

Sturmian Expansions for Quantum Mechanical Many-Body Problems, and Hyperspherical Harmonics Vincenzo Aquilanti and John Avery

The A+BC Reaction by the Hyperqantization Algorithm: the Symmetric Hyperspherical Parametrization for J > 0 Vincenzo Aquilanti, Simonetta Cavalli, Dario De Fazio, and Alessandro Volpi

Distributed Gaussian Basis Sets: Variationally Optimized S-Type Sets V. N. Glushkov and Stephen Wilson

Similarities in the Rydberg Spectra of the Isovalent Radicals CH3 and SiH3 I. Martín, A. M. Velasco, and C. Lavín

Theoretical Study of Charge Transfer Mechanism in N4 + He Collisions at keV Energies Y. S. Tergiman and M. C. Bacchus-Montabonnel

Intermediate Hamiltonian Fock-Space Coupled-Cluster Method Arie Landau, Ephraim Eliav, and Uzi Kaldor

Full CI Solution of Perturbative Equations Gian Luigi Bendazzoli and Stefano Evangelisti

On the Generalized Brillouin-Wigner Perturbation Theory and the Many-Body Problem I. Hubac and


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"Quantum chemistry has emerged as a subject in its own right. The Appearance of a review publication which surveys recent achievements in the field is therefore very appropriate and, when it has the quality of this volume, is most welcome." @source:--PROCEEDINGS OF THE THE PHYSICAL SOCIETY @qu:"The juxtaposition of the oldest of quantum chemical studies, atomic structure, and one of the newest, quantum biology, highlights the importance of quantum theory in modern chemistry. Thus, having first opened the book in search of a particular article, the reader is stimulated to delve into fields of which he has but a superficial knowledge. In this way the book can be instrumental in broadening the interests and background of those who turn to it." @source:--THE ROYAL INSTITUTE OF CHEMISTRY